4-[[3-cyclopropylpropanoyl-(2,2-dimethyl-4-oxidanylidene-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[3-cyclopropylpropanoyl-(2,2-dimethyl-4-oxidanylidene-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid Openeye Name: 4-[[3-cyclopropylpropanoyl-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid CAS Name: 4-[[(3-cyclopropyl-1-oxopropyl)-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[3-cyclopropylpropanoyl-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid Traditional Name: 4-[[3-cyclopropylpropanoyl-(4-keto-2,2-dimethyl-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)CCC4CC4)C(=O)O1)C

Isomeric SMILES

CC1(OC2=C(C=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)CCC4CC4)C(=O)O1)C

InChI

InChI=1S/C24H25NO6/c1-24(2)30-20-11-10-18(13-19(20)23(29)31-24)25(21(26)12-7-15-3-4-15)14-16-5-8-17(9-6-16)22(27)28/h5-6,8-11,13,15H,3-4,7,12,14H2,1-2H3,(H,27,28)